General Information of the Compound
| Compound ID |
CP0388449
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| Compound Name |
6-Amino-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C27H30N4O3/c1-34-24-10-3-2-9-23(24)30-17-15-29(16-18-30)13-4-5-14-31-26(32)20-8-6-7-19-22(28)12-11-21(25(19)20)27(31)33/h2-3,6-12H,4-5,13-18,28H2,1H3
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| InChIKey |
HUDZJSDQTAGUIZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound